0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 OCCC1=CN=CN=C1 27368 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.20 O=C([O-])CC1=NC=C(Br)C=N1 P16752 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.86 FC1=C(C=C(Br)Br)C=CC=C1 D79986 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.86 O=C(O)CN1C=CC=CC1=O 71529 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.86 O=C(O)CN1C=CC=NC1=O W12296 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl P15537 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 F53446 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.509 O=S(=O)(O)CC1=NC=CC=C1 95731 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.509 O=S(=O)([O-])CC1=CC=NC=C1 F53353 [0,1,0,0,0,0|2,0,1]=4 121 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,1]=4 124 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|1,0,1]=3 127 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,0,0,1,0,0|1,0,1]=3 128 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,0,0|1,0,1]=3 129 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,0,0,1,0,0|3,0,0]=4 130 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,1,0,0|3,0,0]=4 131 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,0,0,1,0,0|2,0,1]=4 132 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,0,0,1,0,0|3,0,0]=4 135 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,1,0,0|2,0,1]=4 136 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,0,0,1,0,0|1,0,1]=3 137 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [0,0,0,1,0,0|1,1,1]=4 138 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,1,0,0|1,1,1]=4 139 B11R2.10 NC1=NC2=C(C=CN=C2)O1 36483 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.10 NC1=NC2=CC=CN=C2O1 F13374 [0,0,0,1,0,0|3,0,0]=4 141 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,0,0|2,0,0]=3 142 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,1,0,0|2,0,0]=3 143 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,1,0,0|2,0,0]=3 144 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,1,0,0|2,0,0]=3 145 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,0,0|2,0,0]=3 146 B11R2.10 OC1=CN2C=CC=CC2=N1 36322 [0,0,0,1,0,0|2,0,1]=4 147 B11R2.10 OC1=NN2C=CC=CC2=C1 82700 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.10 S=C1NC2=C(C=CN=C2)O1 AC2527 [0,0,0,1,0,0|2,1,0]=4 149 B11R2.10 S=C1NC2=C(N=CC=C2)O1 AC7981 [0,0,0,1,0,0|2,1,0]=4 150 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,0,0,1,0|3,0,0]=4 152 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,1,0|2,0,1]=4 153 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,1,0|2,0,1]=4 154 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,1,0|2,0,1]=4 155 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,1,0|3,0,0]=4 156 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,1,0|3,0,0]=4 157 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,0,0,0,1,0|3,0,0]=4 158 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,0,0,0,1,0|3,0,0]=4 159 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,0,0,0,1,0|3,0,0]=4 160 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,0,0,0,1,0|3,0,0]=4 162 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,0,0,0,1,0|2,0,1]=4 163 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,0,0,0,1,0|2,0,1]=4 164 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,0,0,1,0|2,0,0]=3 165 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,0,0,1,0|1,0,0]=2 166 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,0,0,1,0|1,0,0]=2 167 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,0,0,0,1,0|2,0,0]=3 168 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,0,0,0,1,0|0,0,1]=2 169 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,0,0,0,1,0|2,0,0]=3 170 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,0,0,0,1,0|1,0,0]=2 171 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,0,0,0,1,0|2,0,0]=3 172 B9R1.13 O=C(O)CC1=CNN=C1 71976 [0,0,0,0,1,0|2,0,0]=3 173 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,0,0,0,1,0|2,0,0]=3 174 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,0,0,0,1,0|2,0,0]=3 175 B9R1.13 O=C(O)CC1=NC=NN1 38467 [0,0,0,0,1,0|3,0,0]=4 176 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,0,0,0,1,0|2,0,0]=3 177 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,0,0,0,1,0|2,0,0]=3 178 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,1|1,0,1]=3 179 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,0,0,0,0,1|2,0,1]=4 180 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,1|2,0,0]=3 181 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,1|2,0,0]=3 182 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,1|1,0,0]=2 183 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,0,0,0,0,1|1,0,1]=3 184 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,0,1|1,0,1]=3 185 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,0,1|1,0,1]=3 186 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,0,1|2,0,0]=3 187 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,0,1|2,0,0]=3 188 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,0,0,0,1|1,0,0]=2 189 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,0,0,0,1|1,0,0]=2 190 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,1|1,0,0]=2 191 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,0,0,0,0,1|2,0,1]=4 192 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,1|2,0,1]=4 193 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,1|0,0,1]=2 194 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,0,1|1,0,1]=3 195 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [0,0,0,0,0,1|1,0,2]=4 196 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 OCC1=CN=NC=C1 37054 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,1,0]=4 201 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,1,0]=4 202 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,1,0]=4 203 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|0,0,0]=2 215 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|0,0,0]=2 224 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|0,0,0]=2 225 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|0,0,0]=2 239 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|0,0,0]=2 264 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,1,0|2,0,0]=4 274 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,1,0|1,0,0]=3 275 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,1,0|2,0,0]=4 276 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,1,0|2,0,0]=4 277 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,1,0|1,0,1]=4 278 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,1,0,0,1,0|2,0,0]=4 280 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,1,0|2,0,0]=4 281 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,1,0|0,0,2]=4 282 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,1,0,0,1,0|2,0,0]=4 283 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,1,0|1,0,1]=4 284 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,1,0|1,0,1]=4 285 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,1,0|1,0,1]=4 286 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,1,0,0,1,0|2,0,0]=4 287 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,1,0|0,0,1]=3 291 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,1,0,0,1,0|2,0,0]=4 292 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,1,0|1,0,0]=3 296 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 12268 [0,1,0,0,1,0|2,0,0]=4 301 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,1,0|2,0,0]=4 302 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,1,0,0,1,0|2,0,0]=4 307 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,1,0,0,1,0|1,0,0]=3 316 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,1,0,0,1,0|2,0,0]=4 317 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,1,0,0,1,0|2,0,0]=4 318 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,0,1,0|1,0,1]=4 321 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,0,1,0|1,0,1]=4 322 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,0,1,0|1,0,1]=4 323 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,0,1,0|1,0,1]=4 324 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,1,0,0,1,0|2,0,0]=4 326 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,1,0,0,1,0|2,0,0]=4 328 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,1,0,0,1,0|1,0,0]=3 330 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,1,0|2,0,0]=4 335 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,1,0|2,0,0]=4 336 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,1,0|2,0,0]=4 337 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,1,0|2,0,0]=4 338 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,1,0|2,0,0]=4 340 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,1,0|2,0,0]=4 341 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,1,0|2,0,0]=4 342 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,1,0,0,1,0|2,0,0]=4 345 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,1,0|1,0,1]=4 350 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,1,0|1,0,1]=4 351 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,1,0|1,0,1]=4 354 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,1,0|1,0,1]=4 355 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,1,0|1,0,1]=4 356 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,1,0|1,0,1]=4 357 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,1,0|1,0,1]=4 358 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,1,0|1,0,0]=3 359 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,1,0|2,0,0]=4 361 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,1,0|2,0,0]=4 362 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,1,0,0,1,0|1,0,0]=3 369 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,1,0,0,1,0|2,0,0]=4 370 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,1,0|1,0,0]=3 372 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,1,0|1,0,0]=3 373 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 AC1517 [0,1,0,0,1,0|1,0,0]=3 374 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,1,0,0,1,0|1,0,1]=4 375 B10R1.27 COC(=O)CC1=CN=CN1 F53522 [0,1,0,0,1,0|2,0,0]=4 376 B10R1.54 CC1=CN(CC(=O)O)N=C1 I12012 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.54 CN1C=C(CC(=O)O)C=N1 C77601 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.54 CN1C=NC(CC(=O)O)=C1 P10612 [0,1,0,0,1,0|2,0,0]=4 379 B10R1.54 CN1C=NC(CC(=O)O)=C1 P16507 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.54 NC1=CN(CC(=O)O)N=C1 C72642 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.54 NC1=NC=C(CC(=O)O)S1 38971 [0,1,0,0,1,0|2,0,0]=4 382 B10R1.54 NC1=NNC(CC(=O)O)=C1 52101 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,1,0,0,1,0|1,0,0]=3 384 B10R1.54 O=C(O)CC1=CSC(Br)=N1 AT14613 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 71046 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.64 CC1=C(CC(=O)O)C=NO1 AC1436 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.64 CC1=C(CC(=O)O)SC=N1 AC1428 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.64 CC1=NC=CN1CC(=O)O A12398 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.64 CN1C=CN=C1CC(=O)O AT15755 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.64 CN1N=CC=C1CC(=O)O 78754 [0,1,0,0,1,0|2,0,0]=4 391 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [0,1,0,0,0,1|1,0,0]=3 392 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [0,1,0,0,0,1|1,0,0]=3 393 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 F12211 [0,1,0,0,0,1|1,0,1]=4 394 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [0,1,0,0,0,1|1,0,0]=3 395 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [0,1,0,0,0,1|1,0,0]=3 396 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 AR2252 [0,1,0,0,0,1|2,0,0]=4 397 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 46011 [0,1,0,0,0,1|1,0,0]=3 398 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,1,0,0,0,1|1,1,0]=4 399 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 75631 [0,1,0,0,0,1|1,0,0]=3 400 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 25118 [0,1,0,0,0,1|0,0,1]=3 401 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 89770 [0,1,0,0,0,1|0,0,1]=3 402 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,1,0,0,0,1|0,0,0]=2 403 B12R1.21 O=C(O)CCC1=CN=C(Br)C=C1 F30869 [0,1,0,0,0,1|1,0,0]=3 404 B12R1.21 O=C(O)COC1=NC=C(Br)C=N1 C10710 [0,1,0,0,0,1|2,0,0]=4 405 B12R1.21 O=C(O)CSC1=NC=C(Br)C=N1 W17275 [0,1,0,0,0,1|2,0,0]=4 406 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 F16133 [0,1,0,0,0,1|1,0,1]=4 407 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 C77141 [0,1,0,0,0,1|1,0,1]=4 408 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,1,0,0,0,1|1,0,0]=3 409 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,1,0,0,0,1|1,0,0]=3 410 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,1,0,0,0,1|1,0,1]=4 411 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,1,0,0,0,1|1,0,0]=3 412 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,1,0,0,0,1|0,0,0]=2 413 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,1,0,0,0,1|1,0,1]=4 414 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,1,0,0,0,1|1,0,1]=4 415 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,1,0,0,0,1|1,0,0]=3 416 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,1,0,0,0,1|1,0,1]=4 417 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,1|1,0,0]=3 418 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,1,0,0,0,1|1,0,0]=3 419 B12R1.43 C[C@@H](CC1=NC=CC=N1)C(=O)O W18320 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,1,0,0,0,1|0,0,0]=2 421 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,1,0,0,0,1|1,0,0]=3 422 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,1,0,0,0,1|1,0,1]=4 423 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,0,1|0,0,0]=2 424 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [0,1,0,0,0,1|1,0,0]=3 425 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,0,1|0,0,1]=3 426 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,1,0,0,0,1|0,0,0]=2 427 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,1,0,0,0,1|1,0,1]=4 428 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,0,1|0,0,0]=2 429 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,0,1|0,0,0]=2 430 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,0,1|0,0,0]=2 431 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,0,1|1,0,0]=3 432 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,1,0,0,0,1|0,0,0]=2 433 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 Y11722 [0,1,0,0,0,1|1,0,0]=3 434 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11797 [0,1,0,0,0,1|1,0,0]=3 435 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 Y11798 [0,1,0,0,0,1|1,0,0]=3 436 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,1,0,0,0,1|0,0,1]=3 437 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,1|1,0,0]=3 438 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [0,1,0,0,0,1|1,0,0]=3 439 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [0,1,0,0,0,1|1,0,0]=3 440 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [0,1,0,0,0,1|1,0,0]=3 441 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [0,1,0,0,0,1|1,0,0]=3 442 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,0,0,0,1|0,0,0]=2 443 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 72580 [0,1,0,0,0,1|1,0,0]=3 445 B12R1.226 CC1=CC=CC(CCC(=O)O)=N1 71538 [0,1,0,0,0,1|1,0,0]=3 446 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [0,1,0,0,0,1|1,0,1]=4 447 B12R1.226 CC1=NC=CC(CCC(=O)O)=C1 72670 [0,1,0,0,0,1|1,0,0]=3 448 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,1,0,0,0,1|0,0,1]=3 449 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 W19721 [0,1,0,0,0,1|0,0,1]=3 450 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 73058 [0,1,0,0,0,1|1,0,0]=3 451 B12R1.226 O=C(O)CNC1=CN=CC(Cl)=N1 30052 [0,1,0,0,0,1|2,0,0]=4 452 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,1,0,0,0,1|0,0,1]=3 453 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,2,0,0,0,0|0,0,0]=2 459 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,2,0,0,0,0|0,0,0]=2 460 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,2,0,0,0,0|0,0,0]=2 461 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 W16241 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.19 CC(=O)NC1=CC(Br)=C(Cl)C=C1 W18000 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.19 CC(=O)NC1=CC(C)=C(O)C=C1 C73156 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.19 CC(=O)NC1=CC(N)=C(O)C=C1 W13329 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,2,0,0,0,0|0,0,0]=2 466 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O P13569 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.19 N=C(N)CC1=CC(Cl)=C(Cl)C=C1 S10695 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 24890 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A11218 [0,2,0,0,0,0|0,0,0]=2 471 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 AB9013 [0,2,0,0,0,0|0,0,0]=2 472 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 CL9560 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,2,0,0,0,0|0,0,0]=2 477 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,2,0,0,0,0|0,0,0]=2 478 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [0,2,0,0,0,0|0,0,0]=2 479 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.20 C[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69943 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N12474 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y10441 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 Y11071 [0,2,0,0,0,0|0,0,0]=2 485 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 61234 [0,2,0,0,0,0|0,0,0]=2 486 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,2,0,0,0,0|0,0,1]=3 487 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,2,0,0,0,0|0,0,1]=3 488 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,2,0,0,0,0|0,0,1]=3 489 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,2,0,0,0,0|0,0,1]=3 490 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 25102 [0,2,0,0,0,0|0,0,0]=2 491 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,2,0,0,0,0|0,0,2]=4 492 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 C76190 [0,2,0,0,0,0|0,0,1]=3 493 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 C72405 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.49 NNC(=O)CC1=CN=C(Cl)C=C1 F12158 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.106 O=S(=O)([O-])CC1=CC=C(F)C=C1 F53362 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 71393 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 D96026 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.233 CC1=C(CC(=O)O)C=CC(N)=C1 72069 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.233 NC(=S)CC1=C(F)C=C(F)C=C1 W19208 [0,2,0,0,0,0|1,1,0]=4 522 B12R1.233 NC1=C(CC(=O)O)C=CC(Br)=C1 98287 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.233 NC1=CC(Br)=CN=C1CC(=O)O 27445 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 CL8759 [0,2,0,0,0,0|0,0,0]=2 525 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 CL9173 [0,2,0,0,0,0|0,0,0]=2 526 B12R1.233 O=C(O)CC1=CC=C(Cl)N=C1Cl D83232 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,2,0,0,0,0|0,0,0]=2 530 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.34 COC(=O)[C@H](N)C1=CC=NC=C1 31581 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [0,2,0,0,0,0|0,0,0]=2 533 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [0,2,0,0,0,0|0,0,0]=2 534 B12R1.124 C[C@@H](C(=O)O)N1C=CC=CC1=O W16391 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 AT21607 [0,2,0,0,0,0|0,0,0]=2 536 B12R1.124 N[C@@H](C(=O)O)C1=C(Br)C=CC=C1 Y10528 [0,2,0,0,0,0|0,0,0]=2 537 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11747 [0,2,0,0,0,0|0,0,0]=2 538 B12R1.124 N[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 Y11901 [0,2,0,0,0,0|0,0,0]=2 539 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13377 [0,2,0,0,0,0|0,0,0]=2 540 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 Y13378 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y10677 [0,2,0,0,0,0|0,0,0]=2 542 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 AB11009 [0,2,0,0,0,0|0,0,1]=3 543 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,2,0,0,0,0|0,0,1]=3 544 B12R1.124 O=C(O)[C@H](Br)C1=C(Br)C=CC=C1 P20733 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.124 O=C(O)[C@H](F)C1=C(Cl)C=CC=C1 98561 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N15140 [0,2,0,0,0,0|0,0,0]=2 550 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 Y14776 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 Y11300 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y10943 [0,2,0,0,0,0|0,0,0]=2 555 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y11229 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 57493 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 N10486 [0,2,0,0,0,0|0,0,0]=2 558 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y10477 [0,2,0,0,0,0|0,0,0]=2 559 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 52230 [0,2,0,0,0,0|0,0,0]=2 560 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23986 [0,2,0,0,0,0|0,0,0]=2 561 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23988 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11806 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,2,0,0,0,0|0,0,1]=3 564 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Cl)=C1 98548 [0,2,0,0,0,0|0,0,0]=2 565 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,2,0,0,0,0|0,0,0]=2 567 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,2,0,0,0,0|0,0,0]=2 568 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 67278 [0,2,0,0,0,0|0,0,0]=2 569 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75104 [0,2,0,0,0,0|0,0,0]=2 570 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 75105 [0,2,0,0,0,0|0,0,0]=2 571 B12R1.478 CC(=O)[C@H](C#N)C1=NC=CC=C1 C75676 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.478 N#C[C@@H](C(=O)O)C1=CC=CC=C1 AC8944 [0,2,0,0,0,0|0,0,0]=2 575 B12R1.478 NC(=O)[C@H](CO)C1=CC=CC=C1 F16398 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 F15276 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 11249 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,2,0,0,0,0|1,0,1]=4 583 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 69168 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 AC2372 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 P15504 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.50 COC(=O)CC1=NC=CC(Br)=C1 57353 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 74407 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,2,0,0,0,0|0,0,2]=4 605 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 D83334 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.371 CC1=C(C\C(N)=N/O)C=CC=C1 W10713 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 D72052 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 12221 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.371 N\C(CC1=C(Br)C=CC=C1)=N\O W10717 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 20662 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.75 CC(=O)NC1=C(C=O)C=CC=C1 T70224 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 F18015 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.75 CCC1=C(CC(=O)O)C=CC=C1 C15212 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 71805 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] 81711 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.75 O=C(O)CC1=C(CBr)C=CC=C1 W10194 [0,2,0,0,0,0|0,0,0]=2 627 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 C12630 [0,2,0,0,0,0|0,0,0]=2 628 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 28021 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.127 CC(=O)NC1=C(O)C=CC(Cl)=C1 F19911 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 CK1027 [0,2,0,0,0,0|0,0,0]=2 631 B12R1.127 O=C(O)CC1=C(O)C=CC(Cl)=C1 AC5703 [0,2,0,0,0,0|0,0,0]=2 632 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=C1 D76801 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 P11161 [0,2,0,0,0,0|1,0,1]=4 634 B12R1.151 NS(=O)(=O)CC1=C(Cl)C=CC=C1 71287 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.224 CC(=O)CC1=CC=CC(F)=C1F Y12421 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 75491 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.224 CC1=C(CC(=O)O)C=CC=C1N 78655 [0,2,0,0,0,0|0,0,0]=2 638 B12R1.224 CC1=C(I)C=CC=C1CC(=O)O CL9700 [0,2,0,0,0,0|0,0,0]=2 639 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1Cl CL9124 [0,2,0,0,0,0|0,0,0]=2 640 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1Cl AB10318 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.1009 NC(=O)CC1=C(Cl)C=CC=C1Cl A12848 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.101 CC(=O)NC1=CC(Cl)=CC(Cl)=C1 AB9061 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.101 NC(=O)NC1=CC(F)=CC(F)=C1 W16535 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.101 O=C(O)CC1=CC(O)=CC(O)=C1 AT19147 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.119 CC1=CC=CC(CS(=O)(=O)Cl)=C1 F20095 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.119 O=S(=O)([O-])CC1=CC(F)=CC=C1 F53361 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 C11184 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 32078 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.438 CC(=O)OC1=CC=CC(CBr)=C1 C75315 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 71977 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 O10459 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.438 N#CC1=NC=CC(CC(=O)O)=C1 C75344 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.438 NCC1=CC=CC(CC(=O)O)=C1 AB3035 [0,2,0,0,0,0|0,0,0]=2 654 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 C10742 [0,2,0,0,0,0|0,0,0]=2 655 B10R1.66 O=C(O)CCC1=CC=CN1 35365 [0,0,1,1,0,0|1,0,1]=4 656 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [0,0,1,1,0,0|1,0,1]=4 657 B10R1.66 O=C(O)CCC1=CNC=C1 65418 [0,0,1,1,0,0|1,0,1]=4 658 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,1,0,0|1,0,1]=4 659 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [1,0,0,1,0,0|2,0,0]=4 660 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,1,0,0|1,0,1]=4 661 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [1,0,0,1,0,0|2,0,0]=4 662 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,0]=2 663 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,0,0,1,0,1|1,0,1]=4 664 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,1,0,1|1,0,1]=4 665 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,1,0,1|1,0,1]=4 666 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,1|1,0,1]=4 667 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,1,0,1|2,0,0]=4 668 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,1|1,0,0]=3 669 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,1,0,1|2,0,0]=4 670 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,0,1|2,0,0]=4 671 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [0,0,0,1,0,1|2,0,0]=4 672 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,1,0,1|2,0,0]=4 673 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,1,0,1|2,0,0]=4 674 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,1,0,1|2,0,0]=4 675 B12R2.24 O=C1CSC2=C(C=CN=C2)N1 W19614 [0,0,0,1,0,1|2,0,0]=4 676 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,1|1,0,0]=3 677 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,1|1,0,1]=4 678 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,1|1,0,1]=4 679 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,1|1,0,1]=4 680 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,0,0,1,0,1|1,0,1]=4 681 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,0,0,1,0,1|1,0,1]=4 682 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 52985 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.606 CC1=CC2=C(C=C1)N=C(S)O2 T72123 [0,1,0,1,0,0|1,1,0]=4 685 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 F15190 [0,1,0,1,0,0|1,1,0]=4 686 B12R2.606 CC1=CC2=C(CC(=O)N2)N=C1 D97288 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 78609 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 I10199 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.606 ClC1=NC2=C(C=C(Br)C=C2)O1 AC2127 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 36068 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.606 FC1=CC2=C(C=C1)OC(Cl)=N2 F30138 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 88115 [0,1,0,1,0,0|1,0,0]=3 694 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 D82169 [0,1,0,1,0,0|0,0,0]=2 695 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 29673 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.606 NC1=NC2=C(C=C(I)C=C2)O1 D94563 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,1,0,1,0,0|1,0,0]=3 698 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 F30698 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,1,0,1,0,0|0,0,0]=2 701 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 37498 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 76341 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 83460 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.606 O=C1CC2=C(N=C(F)C=C2)N1 P19241 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 38150 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 27366 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 27626 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 F18613 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 38389 [0,1,0,1,0,0|2,0,0]=4 710 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 39137 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 24744 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 A12501 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)S1 27037 [0,1,0,1,0,0|1,1,0]=4 714 B12R2.606 O=C1NC2=C(C=CC(Br)=N2)O1 AC2056 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.606 O=C1NC2=C(C=CC(O)=C2)O1 D83229 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 C75325 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.606 OC1=NC2=C(C=C(F)C=C2)S1 F15029 [0,1,0,1,0,0|1,1,0]=4 718 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [0,1,0,1,0,0|1,0,1]=4 719 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,1,0,1,0,0|1,0,0]=3 725 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,1,0,1,0,0|1,0,1]=4 727 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 26882 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [0,1,0,1,0,0|1,0,1]=4 731 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 AC2205 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 P11151 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,1,0,1,0,0|1,0,1]=4 734 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,1,0,1,0,0|0,0,2]=4 736 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 72073 [0,1,0,1,0,0|1,0,1]=4 738 B12R2.202 CC1=CC=CC2=C1N=C(O)S2 F15065 [0,1,0,1,0,0|1,1,0]=4 739 B12R2.202 CC1=CC=CC2=C1OC(=O)N2 F20152 [0,1,0,1,0,0|1,0,0]=3 740 B12R2.202 CC1=CC=NC2=C1CC(=O)N2 D79082 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 C75634 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.202 CC1=NC2=C(Br)C=CC=C2O1 F13689 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 C73452 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2O1 AC7018 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.202 FC1=CC=CC2=C1OC(S)=N2 AC4468 [0,1,0,1,0,0|1,1,0]=4 746 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 82071 [0,1,0,1,0,0|1,0,0]=3 747 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [0,1,0,1,0,0|1,0,0]=3 748 B12R2.202 NC1=CC=CC2=C1NC(O)=N2 W18048 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 70907 [0,1,0,1,0,0|1,0,0]=3 750 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 C13690 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 C77367 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 F10223 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 C71621 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 37548 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.202 O=C1CC2=C(N1)C(Cl)=NC=C2 P16160 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [0,1,0,1,0,0|1,0,0]=3 757 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 I11355 [0,1,0,1,0,0|1,0,0]=3 759 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 P14743 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.202 O=C1CC2=NC=CC(Br)=C2N1 D96612 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.202 O=C1CC2=NC=CC(Cl)=C2N1 D96611 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 F15046 [0,1,0,1,0,0|1,1,0]=4 763 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 C91054 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 36174 [0,1,0,1,0,0|1,0,0]=3 765 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 C71607 [0,1,0,1,0,0|1,1,0]=4 766 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 C74328 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.202 O[C@H]1CC2=CC=CC(Br)=C2C1 31670 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.202 SC1=NC2=CC=CC(Cl)=C2O1 AC6282 [0,1,0,1,0,0|1,1,0]=4 769 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,1,0|1,0,1]=4 770 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,1,0|1,0,1]=4 771 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,1,0|1,0,1]=4 772 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,0,2,0|2,0,0]=4 773 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,0,2,0|2,0,0]=4 774 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,0,0,0,2|1,0,0]=3 775 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,0,0,0,0,2|1,0,0]=3 776 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,0,0,0,0,2|1,0,0]=3